CID 39869630

1030364-98-7

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

C1COCCC1(CN)C(=O)N

InChI

InChI=1S/C7H14N2O2/c8-5-7(6(9)10)1-3-11-4-2-7/h1-5,8H2,(H2,9,10)

InChIKey

XXPGVMATNNHWMS-UHFFFAOYSA-N

Compound name

4-(aminomethyl)oxane-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 158.10553 Da
Monoisotopic Mass: -1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	159.11281	134.5
[M+Na]+	181.09475	138.8
[M-H]-	157.09825	137.1
[M+NH4]+	176.13935	154.4
[M+K]+	197.06869	139.3
[M+H-H2O]+	141.10279	129.1
[M+HCOO]-	203.10373	154.7
[M+CH3COO]-	217.11938	178.5
[M+Na-2H]-	179.08020	140.0
[M]+	158.10498	128.3
[M]-	158.10608	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe